prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate

C11H12ClNO — CID 143185939

IUPACprop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate
SMILESC=C(C)O/C(=N\C)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO/c1-8(2)14-11(13-3)9-6-4-5-7-10(9)12/h4-7H,1H2,2-3H3/b13-11-
InChIKeyNHNHRAXWQNMUKV-QBFSEMIESA-N
MW209.68 g/mol
LogP3.27
Rot. Bonds2

About prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate

prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate (PubChem CID 143185939) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate
PubChem CID143185939
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Nameprop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate
SMILESC=C(C)O/C(=N\C)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO/c1-8(2)14-11(13-3)9-6-4-5-7-10(9)12/h4-7H,1H2,2-3H3/b13-11-
InChIKeyNHNHRAXWQNMUKV-QBFSEMIESA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate?
The IUPAC name of prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate (CID 143185939) is prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate.
What is the SMILES notation for prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate?
The canonical SMILES for prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate is C=C(C)O/C(=N\C)c1ccccc1Cl.
What is the InChIKey of prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate?
The InChIKey is NHNHRAXWQNMUKV-QBFSEMIESA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(2)14-11(13-3)9-6-4-5-7-10(9)12/h4-7H,1H2,2-3H3/b13-11-.
What are the key properties of prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate?
prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate has a molecular weight of 209.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-chloro-N-methylbenzenecarboximidate is sourced from PubChem (CID 143185939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).